Sample Name	Protocol REF	Assay Name	Raw Data File	Comment [Data Repository]	Comment [Data Record Accession]	Comment [Data Record URI]	Protocol REF	Protocol REF	Derived Data File	Comment [Data Repository]	Comment [Data Record Accession]	Comment [Data Record URI]	Factor Value[material type]
subset1	Structure accumulation	Polyethylene	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyethylene oxide	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Cellulose	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Clathrate syndiotactic polystyrene	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly ?-caprolactone	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(3,3,3-triuoro-2-methyloxirane)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyethylene adipate	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyoxymethylene	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(p-phenylene sulde)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(p-xylylene)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(tetramethylene terephthalate)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(vinyl uoride)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyvinylidene uoride (delta)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Syndiotactic polypropylene	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(2-vinylpyridine)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyglycine	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(m-pyridine)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Isotactic polypropylene	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyglutamic acid	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(1,1,2-triuoroethene)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(2,5-dihydrothiophene-2,5-diyl)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(2,6-benzothiazole)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(ethene-alt-hexauoroacetone)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyethylene suberate	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(p-phenylene oxide)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(propylene sulde)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly-tetrauoroethylene-alt-ethylene	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(trimethylene sebacate)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyethylene terephthalate	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyvinylidene uoride (beta)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(2,5-benzoxazole)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Polyacrylonitrile	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly (m-phenylene isophthalamide)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset1	Structure accumulation	Poly(p-phenylene benzobisoxazole)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	polymer
subset2	Structure accumulation	Common polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	New organic polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Poly(tin ester)	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Titanium containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Calcium containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Aluminum containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Zinc containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Magnesium containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Zirconium containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Hafnium containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Cadmium containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	SnCl containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	SnF containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Lead containing polymers	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Molecular crystals of C and H	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Molecular crystals of C, H and O	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Molecular crystals of C, H, N and O	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset2	Structure accumulation	Molecular crystals of C, H, O and Sn	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	organic polymer
subset3	Structure accumulation	Aluminum	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Bromine	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Cadmium	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Calcium	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Carbon	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Chlorine	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Fluorine	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Hafnium	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Hydrogen	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Lead	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Magnesium	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Nitrogen	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Oxygen	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Phosphorus	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Sulfur	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Tin	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Titanium	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Zinc	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
subset3	Structure accumulation	Zirconium	Polymer-CIF.tgz	Dryad Digital Repository	doi:10.5061/dryad.5ht3n	http://dx.doi.org/10.5061/dryad.5ht3n	Numerical calculations	Post-filtering	dataset 2346163	NoMaD Repository	doi:10.17172/NOMAD/2016.01.27-1	http://dx.doi.org/10.17172/NOMAD/2016.01.27-1	non-polymer
